N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine

C10H18N2S2 — CID 79774133

IUPACN-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSCCC)s1
InChIInChI=1S/C10H18N2S2/c1-3-5-11-10-12-7-9(14-10)8-13-6-4-2/h7H,3-6,8H2,1-2H3,(H,11,12)
InChIKeyGZVVJHXZNLSXEW-UHFFFAOYSA-N
MW230.40 g/mol
LogP3.61
Rot. Bonds7

About N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine

N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 79774133) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID79774133
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC NameN-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSCCC)s1
InChIInChI=1S/C10H18N2S2/c1-3-5-11-10-12-7-9(14-10)8-13-6-4-2/h7H,3-6,8H2,1-2H3,(H,11,12)
InChIKeyGZVVJHXZNLSXEW-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-5-methylthiazole
CID 351770
O-ethyl [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylmethanethioate
CID 1796567
N-(3,4-Dihydro-2H-pyrrol-5-yl)-5-methylthiazol-2-amine
CID 2101061
2-[(2-Guanidinothiazol-5-yl)methylthio]ethylamine
CID 13102899
5-[2-(Methylamino)ethyl]-1,3-thiazol-2-amine
CID 13637169
5-[2-(dimethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 12259634
5-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 3101501
5-Methyl-2-(piperazin-1-yl)thiazole
CID 21100190
N,5-dimethylthiazol-2-amine
CID 817028
N,5-dimethyl-1,3-thiazol-2-amine hydrochloride
CID 137971635
N-Cyano-3-((2-guanidino-5-thiazolyl)methylthio)propionamidine
CID 129147
N-cyano-N'-methyl-N''-(2-((2-amino-5-thiazolyl)methylthio)ethyl)guanidine
CID 149370

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine (CID 79774133) is N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine is CCCNc1ncc(CSCCC)s1.
What is the InChIKey of N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is GZVVJHXZNLSXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-3-5-11-10-12-7-9(14-10)8-13-6-4-2/h7H,3-6,8H2,1-2H3,(H,11,12).
What are the key properties of N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine?
N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 230.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).